USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 SER OG : rot 132:sc= 0.215 USER MOD Set 1.2: A 122 SER OG : rot 180:sc= -0.164 USER MOD Set 1.3: A 123 SER OG : rot 96:sc= 0.597 USER MOD Set 2.1: A 112 SER OG : rot 144:sc= 0.447 USER MOD Set 2.2: A 114 GLN : amide:sc= 0.971 K(o=3.1,f=-4!) USER MOD Set 2.3: A 127 TYR OH : rot 10:sc= 1.64 USER MOD Single : A 88 CYS SG : rot 20:sc= 0.914 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -2.97! C(o=-3!,f=-2.9!) USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= -0.0328 (180deg=-0.274) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 150:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -137:sc= -0.954 (180deg=-3.17!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.9!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 130 LYS NZ :NH3+ -160:sc= -0.076 (180deg=-0.579) USER MOD Single : A 131 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.4!) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -164:sc= -0.183 (180deg=-0.363) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.536 1.016 -25.493 1.00 0.00 N ATOM 135 CA PRO A 87 25.595 0.079 -25.969 1.00 0.00 C ATOM 136 C PRO A 87 25.930 0.297 -27.444 1.00 0.00 C ATOM 137 O PRO A 87 25.051 0.581 -28.257 1.00 0.00 O ATOM 138 CB PRO A 87 24.979 -1.306 -25.752 1.00 0.00 C ATOM 139 CG PRO A 87 23.962 -1.119 -24.677 1.00 0.00 C ATOM 140 CD PRO A 87 23.421 0.301 -24.852 1.00 0.00 C ATOM 0 HA PRO A 87 26.536 0.220 -25.437 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.520 -1.680 -26.667 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.736 -2.032 -25.455 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.162 -1.855 -24.764 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.408 -1.248 -23.691 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.525 0.316 -25.473 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.154 0.750 -23.895 1.00 0.00 H new ATOM 148 N CYS A 88 27.211 0.164 -27.779 1.00 0.00 N ATOM 149 CA CYS A 88 27.652 0.359 -29.154 1.00 0.00 C ATOM 150 C CYS A 88 26.923 -0.598 -30.091 1.00 0.00 C ATOM 151 O CYS A 88 26.739 -1.772 -29.776 1.00 0.00 O ATOM 152 CB CYS A 88 29.161 0.121 -29.256 1.00 0.00 C ATOM 153 SG CYS A 88 29.509 -1.644 -29.045 1.00 0.00 S ATOM 0 H CYS A 88 27.954 -0.076 -27.123 1.00 0.00 H new ATOM 0 HA CYS A 88 27.423 1.384 -29.447 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.529 0.462 -30.224 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.684 0.699 -28.494 1.00 0.00 H new ATOM 0 HG CYS A 88 28.431 -2.330 -29.285 1.00 0.00 H new ATOM 159 N GLY A 89 26.507 -0.085 -31.243 1.00 0.00 N ATOM 160 CA GLY A 89 25.802 -0.899 -32.225 1.00 0.00 C ATOM 161 C GLY A 89 24.295 -0.830 -32.014 1.00 0.00 C ATOM 162 O GLY A 89 23.517 -1.082 -32.933 1.00 0.00 O ATOM 0 H GLY A 89 26.645 0.887 -31.519 1.00 0.00 H new ATOM 0 HA2 GLY A 89 26.048 -0.556 -33.230 1.00 0.00 H new ATOM 0 HA3 GLY A 89 26.136 -1.934 -32.151 1.00 0.00 H new ATOM 166 N TRP A 90 23.890 -0.485 -30.795 1.00 0.00 N ATOM 167 CA TRP A 90 22.472 -0.384 -30.470 1.00 0.00 C ATOM 168 C TRP A 90 22.100 1.054 -30.122 1.00 0.00 C ATOM 169 O TRP A 90 22.879 1.767 -29.489 1.00 0.00 O ATOM 170 CB TRP A 90 22.139 -1.301 -29.293 1.00 0.00 C ATOM 171 CG TRP A 90 22.356 -2.724 -29.692 1.00 0.00 C ATOM 172 CD1 TRP A 90 23.474 -3.442 -29.425 1.00 0.00 C ATOM 173 CD2 TRP A 90 21.463 -3.615 -30.420 1.00 0.00 C ATOM 174 NE1 TRP A 90 23.321 -4.715 -29.944 1.00 0.00 N ATOM 175 CE2 TRP A 90 22.098 -4.871 -30.567 1.00 0.00 C ATOM 176 CE3 TRP A 90 20.174 -3.456 -30.962 1.00 0.00 C ATOM 177 CZ2 TRP A 90 21.476 -5.931 -31.226 1.00 0.00 C ATOM 178 CZ3 TRP A 90 19.546 -4.522 -31.626 1.00 0.00 C ATOM 179 CH2 TRP A 90 20.197 -5.757 -31.759 1.00 0.00 C ATOM 0 H TRP A 90 24.519 -0.272 -30.021 1.00 0.00 H new ATOM 0 HA TRP A 90 21.897 -0.692 -31.343 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.766 -1.053 -28.436 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.104 -1.153 -28.984 1.00 0.00 H new ATOM 0 HD1 TRP A 90 24.342 -3.080 -28.894 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.026 -5.449 -29.875 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.665 -2.508 -30.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 21.980 -6.881 -31.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 18.556 -4.390 -32.037 1.00 0.00 H new ATOM 0 HH2 TRP A 90 19.710 -6.572 -32.273 1.00 0.00 H new ATOM 190 N GLU A 91 20.910 1.471 -30.537 1.00 0.00 N ATOM 191 CA GLU A 91 20.444 2.825 -30.262 1.00 0.00 C ATOM 192 C GLU A 91 19.227 2.799 -29.346 1.00 0.00 C ATOM 193 O GLU A 91 18.506 1.804 -29.286 1.00 0.00 O ATOM 194 CB GLU A 91 20.088 3.533 -31.569 1.00 0.00 C ATOM 195 CG GLU A 91 21.191 4.530 -31.929 1.00 0.00 C ATOM 196 CD GLU A 91 20.850 5.235 -33.238 1.00 0.00 C ATOM 197 OE1 GLU A 91 20.110 6.204 -33.190 1.00 0.00 O ATOM 198 OE2 GLU A 91 21.335 4.794 -34.268 1.00 0.00 O ATOM 0 H GLU A 91 20.253 0.895 -31.063 1.00 0.00 H new ATOM 0 HA GLU A 91 21.247 3.369 -29.763 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.969 2.803 -32.369 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.135 4.051 -31.466 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.305 5.263 -31.130 1.00 0.00 H new ATOM 0 HG3 GLU A 91 22.145 4.011 -32.024 1.00 0.00 H new ATOM 205 N ARG A 92 19.006 3.899 -28.631 1.00 0.00 N ATOM 206 CA ARG A 92 17.872 3.987 -27.717 1.00 0.00 C ATOM 207 C ARG A 92 17.087 5.273 -27.963 1.00 0.00 C ATOM 208 O ARG A 92 17.667 6.330 -28.211 1.00 0.00 O ATOM 209 CB ARG A 92 18.365 3.957 -26.271 1.00 0.00 C ATOM 210 CG ARG A 92 19.178 2.682 -26.035 1.00 0.00 C ATOM 211 CD ARG A 92 19.494 2.547 -24.544 1.00 0.00 C ATOM 212 NE ARG A 92 18.300 2.137 -23.814 1.00 0.00 N ATOM 213 CZ ARG A 92 17.536 3.026 -23.186 1.00 0.00 C ATOM 214 NH1 ARG A 92 17.846 4.294 -23.224 1.00 0.00 N ATOM 215 NH2 ARG A 92 16.476 2.634 -22.538 1.00 0.00 N ATOM 0 H ARG A 92 19.591 4.734 -28.666 1.00 0.00 H new ATOM 0 HA ARG A 92 17.217 3.134 -27.895 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.978 4.835 -26.066 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.518 3.993 -25.586 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.618 1.812 -26.379 1.00 0.00 H new ATOM 0 HG3 ARG A 92 20.102 2.715 -26.612 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.288 1.815 -24.397 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.860 3.497 -24.154 1.00 0.00 H new ATOM 0 HE ARG A 92 18.046 1.150 -23.785 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.673 4.602 -23.735 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.261 4.977 -22.743 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.231 1.644 -22.512 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.891 3.317 -22.057 1.00 0.00 H new ATOM 229 N VAL A 93 15.765 5.174 -27.893 1.00 0.00 N ATOM 230 CA VAL A 93 14.905 6.330 -28.116 1.00 0.00 C ATOM 231 C VAL A 93 13.722 6.321 -27.158 1.00 0.00 C ATOM 232 O VAL A 93 13.197 5.260 -26.821 1.00 0.00 O ATOM 233 CB VAL A 93 14.394 6.326 -29.560 1.00 0.00 C ATOM 234 CG1 VAL A 93 13.147 7.206 -29.663 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.481 6.881 -30.486 1.00 0.00 C ATOM 0 H VAL A 93 15.267 4.309 -27.684 1.00 0.00 H new ATOM 0 HA VAL A 93 15.491 7.231 -27.936 1.00 0.00 H new ATOM 0 HB VAL A 93 14.147 5.306 -29.854 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.783 7.203 -30.691 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.372 6.817 -29.003 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.396 8.226 -29.369 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.119 6.879 -31.514 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.726 7.901 -30.190 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.373 6.259 -30.414 1.00 0.00 H new ATOM 245 N VAL A 94 13.307 7.507 -26.723 1.00 0.00 N ATOM 246 CA VAL A 94 12.173 7.619 -25.812 1.00 0.00 C ATOM 247 C VAL A 94 11.037 8.401 -26.472 1.00 0.00 C ATOM 248 O VAL A 94 11.276 9.371 -27.189 1.00 0.00 O ATOM 249 CB VAL A 94 12.603 8.327 -24.528 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.721 7.530 -23.856 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.110 9.731 -24.866 1.00 0.00 C ATOM 0 H VAL A 94 13.734 8.396 -26.983 1.00 0.00 H new ATOM 0 HA VAL A 94 11.820 6.616 -25.571 1.00 0.00 H new ATOM 0 HB VAL A 94 11.752 8.400 -23.851 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.028 8.035 -22.940 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.361 6.530 -23.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.573 7.456 -24.532 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.417 10.237 -23.951 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.961 9.657 -25.543 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.313 10.300 -25.345 1.00 0.00 H new ATOM 261 N LYS A 95 9.804 7.967 -26.221 1.00 0.00 N ATOM 262 CA LYS A 95 8.640 8.627 -26.799 1.00 0.00 C ATOM 263 C LYS A 95 7.678 9.070 -25.704 1.00 0.00 C ATOM 264 O LYS A 95 7.376 8.307 -24.786 1.00 0.00 O ATOM 265 CB LYS A 95 7.926 7.678 -27.762 1.00 0.00 C ATOM 266 CG LYS A 95 6.729 8.393 -28.391 1.00 0.00 C ATOM 267 CD LYS A 95 6.055 7.469 -29.406 1.00 0.00 C ATOM 268 CE LYS A 95 4.856 8.182 -30.032 1.00 0.00 C ATOM 269 NZ LYS A 95 4.205 7.284 -31.026 1.00 0.00 N ATOM 0 H LYS A 95 9.588 7.167 -25.626 1.00 0.00 H new ATOM 0 HA LYS A 95 8.977 9.508 -27.345 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.614 7.346 -28.539 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.592 6.787 -27.230 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.017 8.681 -27.618 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.056 9.310 -28.880 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.766 7.183 -30.181 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.730 6.551 -28.917 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.142 8.463 -29.258 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.180 9.103 -30.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.390 7.770 -31.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.888 7.037 -31.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.882 6.417 -30.551 1.00 0.00 H new ATOM 283 N GLN A 96 7.200 10.305 -25.806 1.00 0.00 N ATOM 284 CA GLN A 96 6.273 10.837 -24.816 1.00 0.00 C ATOM 285 C GLN A 96 4.859 10.914 -25.386 1.00 0.00 C ATOM 286 O GLN A 96 4.672 11.232 -26.560 1.00 0.00 O ATOM 287 CB GLN A 96 6.725 12.236 -24.381 1.00 0.00 C ATOM 288 CG GLN A 96 7.952 12.118 -23.475 1.00 0.00 C ATOM 289 CD GLN A 96 7.545 11.560 -22.115 1.00 0.00 C ATOM 290 OE1 GLN A 96 7.646 10.357 -21.880 1.00 0.00 O ATOM 291 NE2 GLN A 96 7.088 12.371 -21.198 1.00 0.00 N ATOM 0 H GLN A 96 7.437 10.952 -26.558 1.00 0.00 H new ATOM 0 HA GLN A 96 6.268 10.168 -23.955 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.963 12.841 -25.256 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.917 12.743 -23.853 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.694 11.467 -23.937 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.418 13.095 -23.351 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.005 13.368 -21.395 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.814 12.007 -20.285 1.00 0.00 H new ATOM 300 N ARG A 97 3.866 10.619 -24.545 1.00 0.00 N ATOM 301 CA ARG A 97 2.479 10.665 -24.974 1.00 0.00 C ATOM 302 C ARG A 97 1.919 12.074 -24.812 1.00 0.00 C ATOM 303 O ARG A 97 1.778 12.572 -23.695 1.00 0.00 O ATOM 304 CB ARG A 97 1.643 9.684 -24.155 1.00 0.00 C ATOM 305 CG ARG A 97 2.193 8.268 -24.338 1.00 0.00 C ATOM 306 CD ARG A 97 1.108 7.253 -23.981 1.00 0.00 C ATOM 307 NE ARG A 97 1.711 5.988 -23.578 1.00 0.00 N ATOM 308 CZ ARG A 97 0.970 4.991 -23.106 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.323 5.135 -23.000 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.535 3.872 -22.744 1.00 0.00 N ATOM 0 H ARG A 97 4.001 10.348 -23.571 1.00 0.00 H new ATOM 0 HA ARG A 97 2.434 10.385 -26.026 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.666 9.961 -23.101 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.601 9.725 -24.472 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.518 8.122 -25.368 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.067 8.121 -23.704 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.488 7.642 -23.173 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.453 7.095 -24.837 1.00 0.00 H new ATOM 0 HE ARG A 97 2.720 5.866 -23.660 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.763 6.012 -23.279 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.893 4.371 -22.638 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.546 3.762 -22.823 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.966 3.107 -22.382 1.00 0.00 H new ATOM 324 N LEU A 98 1.602 12.715 -25.932 1.00 0.00 N ATOM 325 CA LEU A 98 1.061 14.070 -25.903 1.00 0.00 C ATOM 326 C LEU A 98 -0.425 14.063 -26.232 1.00 0.00 C ATOM 327 O LEU A 98 -1.047 15.119 -26.355 1.00 0.00 O ATOM 328 CB LEU A 98 1.807 14.951 -26.913 1.00 0.00 C ATOM 329 CG LEU A 98 3.126 15.427 -26.302 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.836 16.362 -25.123 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.928 14.221 -25.812 1.00 0.00 C ATOM 0 H LEU A 98 1.709 12.321 -26.867 1.00 0.00 H new ATOM 0 HA LEU A 98 1.195 14.473 -24.899 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.000 14.390 -27.828 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.192 15.808 -27.188 1.00 0.00 H new ATOM 0 HG LEU A 98 3.702 15.962 -27.057 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.776 16.701 -24.688 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.267 17.223 -25.473 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.259 15.828 -24.368 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.868 14.561 -25.377 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.353 13.683 -25.058 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.136 13.557 -26.651 1.00 0.00 H new ATOM 343 N PHE A 99 -0.987 12.868 -26.378 1.00 0.00 N ATOM 344 CA PHE A 99 -2.401 12.744 -26.709 1.00 0.00 C ATOM 345 C PHE A 99 -3.060 11.661 -25.860 1.00 0.00 C ATOM 346 O PHE A 99 -2.432 10.661 -25.514 1.00 0.00 O ATOM 347 CB PHE A 99 -2.547 12.379 -28.194 1.00 0.00 C ATOM 348 CG PHE A 99 -1.748 13.351 -29.031 1.00 0.00 C ATOM 349 CD1 PHE A 99 -0.401 13.082 -29.312 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.347 14.513 -29.524 1.00 0.00 C ATOM 351 CE1 PHE A 99 0.344 13.979 -30.087 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.603 15.410 -30.300 1.00 0.00 C ATOM 353 CZ PHE A 99 -0.257 15.144 -30.580 1.00 0.00 C ATOM 0 H PHE A 99 -0.492 11.982 -26.274 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.891 13.697 -26.507 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.197 11.361 -28.366 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.597 12.409 -28.486 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.062 12.184 -28.931 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.385 14.719 -29.306 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.382 13.773 -30.305 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.067 16.307 -30.683 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.318 15.837 -31.176 1.00 0.00 H new ATOM 363 N GLY A 100 -4.329 11.869 -25.528 1.00 0.00 N ATOM 364 CA GLY A 100 -5.069 10.903 -24.727 1.00 0.00 C ATOM 365 C GLY A 100 -5.100 11.315 -23.261 1.00 0.00 C ATOM 366 O GLY A 100 -4.188 11.982 -22.774 1.00 0.00 O ATOM 0 H GLY A 100 -4.864 12.694 -25.800 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.088 10.817 -25.105 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.609 9.919 -24.822 1.00 0.00 H new ATOM 370 N LYS A 101 -6.155 10.912 -22.560 1.00 0.00 N ATOM 371 CA LYS A 101 -6.297 11.245 -21.146 1.00 0.00 C ATOM 372 C LYS A 101 -5.117 10.686 -20.353 1.00 0.00 C ATOM 373 O LYS A 101 -4.654 11.305 -19.394 1.00 0.00 O ATOM 374 CB LYS A 101 -7.603 10.669 -20.602 1.00 0.00 C ATOM 375 CG LYS A 101 -8.061 11.496 -19.399 1.00 0.00 C ATOM 376 CD LYS A 101 -9.288 10.839 -18.766 1.00 0.00 C ATOM 377 CE LYS A 101 -8.839 9.851 -17.687 1.00 0.00 C ATOM 378 NZ LYS A 101 -8.383 10.603 -16.484 1.00 0.00 N ATOM 0 H LYS A 101 -6.920 10.358 -22.944 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.313 12.330 -21.042 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.369 10.680 -21.377 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.460 9.629 -20.309 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.256 11.570 -18.667 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.300 12.512 -19.713 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.937 11.599 -18.331 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.870 10.321 -19.528 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.661 9.186 -17.423 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.031 9.225 -18.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.466 9.996 -15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.391 10.889 -16.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.974 11.450 -16.359 1.00 0.00 H new ATOM 392 N THR A 102 -4.636 9.516 -20.757 1.00 0.00 N ATOM 393 CA THR A 102 -3.504 8.891 -20.082 1.00 0.00 C ATOM 394 C THR A 102 -2.197 9.544 -20.525 1.00 0.00 C ATOM 395 O THR A 102 -1.113 9.097 -20.158 1.00 0.00 O ATOM 396 CB THR A 102 -3.464 7.396 -20.406 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.438 7.217 -21.815 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.699 6.713 -19.822 1.00 0.00 C ATOM 0 H THR A 102 -5.009 8.984 -21.543 1.00 0.00 H new ATOM 0 HA THR A 102 -3.622 9.026 -19.007 1.00 0.00 H new ATOM 0 HB THR A 102 -2.569 6.953 -19.970 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.411 6.260 -22.023 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.670 5.648 -20.053 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.713 6.849 -18.741 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.597 7.154 -20.255 1.00 0.00 H new ATOM 406 N ALA A 103 -2.309 10.604 -21.318 1.00 0.00 N ATOM 407 CA ALA A 103 -1.127 11.303 -21.810 1.00 0.00 C ATOM 408 C ALA A 103 -0.213 11.693 -20.654 1.00 0.00 C ATOM 409 O ALA A 103 -0.675 12.182 -19.623 1.00 0.00 O ATOM 410 CB ALA A 103 -1.548 12.563 -22.575 1.00 0.00 C ATOM 0 H ALA A 103 -3.197 10.995 -21.632 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.584 10.634 -22.477 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.661 13.081 -22.940 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.178 12.283 -23.419 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.105 13.223 -21.910 1.00 0.00 H new ATOM 416 N GLY A 104 1.085 11.475 -20.834 1.00 0.00 N ATOM 417 CA GLY A 104 2.058 11.807 -19.799 1.00 0.00 C ATOM 418 C GLY A 104 2.915 10.597 -19.446 1.00 0.00 C ATOM 419 O GLY A 104 3.974 10.732 -18.832 1.00 0.00 O ATOM 0 H GLY A 104 1.486 11.073 -21.681 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.696 12.621 -20.143 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.540 12.162 -18.908 1.00 0.00 H new ATOM 423 N ARG A 105 2.457 9.415 -19.845 1.00 0.00 N ATOM 424 CA ARG A 105 3.197 8.185 -19.576 1.00 0.00 C ATOM 425 C ARG A 105 4.518 8.180 -20.339 1.00 0.00 C ATOM 426 O ARG A 105 4.697 8.936 -21.294 1.00 0.00 O ATOM 427 CB ARG A 105 2.363 6.973 -19.981 1.00 0.00 C ATOM 428 CG ARG A 105 1.684 6.381 -18.745 1.00 0.00 C ATOM 429 CD ARG A 105 0.822 7.451 -18.074 1.00 0.00 C ATOM 430 NE ARG A 105 -0.298 6.833 -17.375 1.00 0.00 N ATOM 431 CZ ARG A 105 -1.172 7.564 -16.693 1.00 0.00 C ATOM 432 NH1 ARG A 105 -1.034 8.862 -16.637 1.00 0.00 N ATOM 433 NH2 ARG A 105 -2.168 6.988 -16.078 1.00 0.00 N ATOM 0 H ARG A 105 1.582 9.282 -20.353 1.00 0.00 H new ATOM 0 HA ARG A 105 3.408 8.135 -18.508 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.613 7.264 -20.716 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.998 6.224 -20.454 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.068 5.528 -19.029 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.435 6.013 -18.046 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.425 8.026 -17.372 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.451 8.151 -18.823 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.413 5.820 -17.410 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.255 9.313 -17.117 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.705 9.424 -16.113 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.276 5.975 -16.121 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.838 7.551 -15.555 1.00 0.00 H new ATOM 447 N PHE A 106 5.439 7.323 -19.910 1.00 0.00 N ATOM 448 CA PHE A 106 6.743 7.236 -20.553 1.00 0.00 C ATOM 449 C PHE A 106 6.884 5.928 -21.319 1.00 0.00 C ATOM 450 O PHE A 106 6.545 4.860 -20.811 1.00 0.00 O ATOM 451 CB PHE A 106 7.849 7.330 -19.496 1.00 0.00 C ATOM 452 CG PHE A 106 7.878 8.725 -18.916 1.00 0.00 C ATOM 453 CD1 PHE A 106 7.094 9.038 -17.801 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.692 9.707 -19.497 1.00 0.00 C ATOM 455 CE1 PHE A 106 7.121 10.330 -17.266 1.00 0.00 C ATOM 456 CE2 PHE A 106 8.720 11.000 -18.961 1.00 0.00 C ATOM 457 CZ PHE A 106 7.934 11.312 -17.845 1.00 0.00 C ATOM 0 H PHE A 106 5.307 6.684 -19.126 1.00 0.00 H new ATOM 0 HA PHE A 106 6.834 8.063 -21.257 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.674 6.600 -18.706 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.814 7.091 -19.943 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.467 8.281 -17.353 1.00 0.00 H new ATOM 0 HD2 PHE A 106 9.298 9.466 -20.358 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.514 10.570 -16.406 1.00 0.00 H new ATOM 0 HE2 PHE A 106 9.348 11.757 -19.408 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.955 12.309 -17.431 1.00 0.00 H new ATOM 467 N ASP A 107 7.386 6.020 -22.547 1.00 0.00 N ATOM 468 CA ASP A 107 7.579 4.830 -23.375 1.00 0.00 C ATOM 469 C ASP A 107 8.956 4.865 -24.038 1.00 0.00 C ATOM 470 O ASP A 107 9.342 5.872 -24.630 1.00 0.00 O ATOM 471 CB ASP A 107 6.494 4.751 -24.441 1.00 0.00 C ATOM 472 CG ASP A 107 5.126 4.985 -23.807 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.713 6.132 -23.744 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.510 4.015 -23.399 1.00 0.00 O ATOM 0 H ASP A 107 7.665 6.896 -22.989 1.00 0.00 H new ATOM 0 HA ASP A 107 7.516 3.948 -22.737 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.678 5.496 -25.215 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.518 3.775 -24.925 1.00 0.00 H new ATOM 479 N VAL A 108 9.688 3.758 -23.934 1.00 0.00 N ATOM 480 CA VAL A 108 11.023 3.685 -24.514 1.00 0.00 C ATOM 481 C VAL A 108 11.219 2.366 -25.250 1.00 0.00 C ATOM 482 O VAL A 108 10.609 1.355 -24.904 1.00 0.00 O ATOM 483 CB VAL A 108 12.070 3.806 -23.398 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.557 4.755 -22.311 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.332 2.429 -22.789 1.00 0.00 C ATOM 0 H VAL A 108 9.382 2.909 -23.459 1.00 0.00 H new ATOM 0 HA VAL A 108 11.140 4.502 -25.226 1.00 0.00 H new ATOM 0 HB VAL A 108 12.996 4.201 -23.816 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.302 4.839 -21.520 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.374 5.739 -22.743 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.629 4.364 -21.895 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.076 2.517 -21.997 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.405 2.032 -22.374 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.702 1.754 -23.561 1.00 0.00 H new ATOM 495 N TYR A 109 12.077 2.385 -26.263 1.00 0.00 N ATOM 496 CA TYR A 109 12.359 1.181 -27.038 1.00 0.00 C ATOM 497 C TYR A 109 13.756 1.250 -27.641 1.00 0.00 C ATOM 498 O TYR A 109 14.290 2.335 -27.875 1.00 0.00 O ATOM 499 CB TYR A 109 11.324 1.013 -28.144 1.00 0.00 C ATOM 500 CG TYR A 109 11.044 2.356 -28.776 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.886 2.852 -29.776 1.00 0.00 C ATOM 502 CD2 TYR A 109 9.935 3.105 -28.359 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.623 4.096 -30.360 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.672 4.350 -28.942 1.00 0.00 C ATOM 505 CZ TYR A 109 10.516 4.845 -29.943 1.00 0.00 C ATOM 506 OH TYR A 109 10.257 6.073 -30.519 1.00 0.00 O ATOM 0 H TYR A 109 12.587 3.215 -26.566 1.00 0.00 H new ATOM 0 HA TYR A 109 12.308 0.321 -26.370 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.689 0.314 -28.896 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.405 0.592 -27.737 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.740 2.275 -30.098 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.283 2.721 -27.588 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.274 4.478 -31.132 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.819 4.928 -28.620 1.00 0.00 H new ATOM 0 HH TYR A 109 9.292 6.242 -30.510 1.00 0.00 H new ATOM 516 N PHE A 110 14.348 0.085 -27.892 1.00 0.00 N ATOM 517 CA PHE A 110 15.692 0.034 -28.453 1.00 0.00 C ATOM 518 C PHE A 110 15.634 -0.131 -29.968 1.00 0.00 C ATOM 519 O PHE A 110 14.833 -0.906 -30.490 1.00 0.00 O ATOM 520 CB PHE A 110 16.458 -1.151 -27.846 1.00 0.00 C ATOM 521 CG PHE A 110 16.156 -1.241 -26.368 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.952 -1.815 -25.940 1.00 0.00 C ATOM 523 CD2 PHE A 110 17.073 -0.760 -25.430 1.00 0.00 C ATOM 524 CE1 PHE A 110 14.666 -1.903 -24.572 1.00 0.00 C ATOM 525 CE2 PHE A 110 16.788 -0.848 -24.062 1.00 0.00 C ATOM 526 CZ PHE A 110 15.585 -1.419 -23.633 1.00 0.00 C ATOM 0 H PHE A 110 13.923 -0.826 -27.718 1.00 0.00 H new ATOM 0 HA PHE A 110 16.202 0.968 -28.217 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.171 -2.077 -28.344 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.529 -1.024 -28.002 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.244 -2.190 -26.665 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.002 -0.320 -25.760 1.00 0.00 H new ATOM 0 HE1 PHE A 110 13.737 -2.344 -24.241 1.00 0.00 H new ATOM 0 HE2 PHE A 110 17.497 -0.475 -23.338 1.00 0.00 H new ATOM 0 HZ PHE A 110 15.365 -1.486 -22.578 1.00 0.00 H new ATOM 536 N ILE A 111 16.488 0.606 -30.668 1.00 0.00 N ATOM 537 CA ILE A 111 16.536 0.542 -32.126 1.00 0.00 C ATOM 538 C ILE A 111 17.589 -0.468 -32.575 1.00 0.00 C ATOM 539 O ILE A 111 18.570 -0.711 -31.872 1.00 0.00 O ATOM 540 CB ILE A 111 16.853 1.913 -32.707 1.00 0.00 C ATOM 541 CG1 ILE A 111 15.673 2.855 -32.458 1.00 0.00 C ATOM 542 CG2 ILE A 111 17.094 1.784 -34.212 1.00 0.00 C ATOM 543 CD1 ILE A 111 16.094 4.292 -32.767 1.00 0.00 C ATOM 0 H ILE A 111 17.156 1.254 -30.252 1.00 0.00 H new ATOM 0 HA ILE A 111 15.560 0.223 -32.490 1.00 0.00 H new ATOM 0 HB ILE A 111 17.747 2.315 -32.229 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.828 2.570 -33.084 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.343 2.776 -31.422 1.00 0.00 H new ATOM 0 HG21 ILE A 111 17.321 2.765 -34.630 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.933 1.111 -34.390 1.00 0.00 H new ATOM 0 HG23 ILE A 111 16.200 1.384 -34.691 1.00 0.00 H new ATOM 0 HD11 ILE A 111 15.254 4.963 -32.590 1.00 0.00 H new ATOM 0 HD12 ILE A 111 16.926 4.574 -32.122 1.00 0.00 H new ATOM 0 HD13 ILE A 111 16.403 4.364 -33.810 1.00 0.00 H new ATOM 555 N SER A 112 17.378 -1.052 -33.750 1.00 0.00 N ATOM 556 CA SER A 112 18.310 -2.040 -34.280 1.00 0.00 C ATOM 557 C SER A 112 19.173 -1.437 -35.382 1.00 0.00 C ATOM 558 O SER A 112 18.822 -0.414 -35.971 1.00 0.00 O ATOM 559 CB SER A 112 17.535 -3.238 -34.831 1.00 0.00 C ATOM 560 OG SER A 112 18.049 -3.580 -36.113 1.00 0.00 O ATOM 0 H SER A 112 16.576 -0.860 -34.350 1.00 0.00 H new ATOM 0 HA SER A 112 18.962 -2.366 -33.470 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.624 -4.087 -34.153 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.474 -2.998 -34.904 1.00 0.00 H new ATOM 0 HG SER A 112 18.034 -4.554 -36.222 1.00 0.00 H new ATOM 566 N PRO A 113 20.283 -2.057 -35.670 1.00 0.00 N ATOM 567 CA PRO A 113 21.220 -1.585 -36.734 1.00 0.00 C ATOM 568 C PRO A 113 20.545 -1.522 -38.102 1.00 0.00 C ATOM 569 O PRO A 113 20.861 -0.657 -38.920 1.00 0.00 O ATOM 570 CB PRO A 113 22.338 -2.631 -36.724 1.00 0.00 C ATOM 571 CG PRO A 113 21.769 -3.820 -36.022 1.00 0.00 C ATOM 572 CD PRO A 113 20.771 -3.274 -35.011 1.00 0.00 C ATOM 0 HA PRO A 113 21.578 -0.573 -36.546 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.646 -2.885 -37.738 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.221 -2.256 -36.207 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.281 -4.493 -36.727 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.553 -4.392 -35.526 1.00 0.00 H new ATOM 0 HD2 PRO A 113 19.964 -3.980 -34.815 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.243 -3.055 -34.053 1.00 0.00 H new ATOM 580 N GLN A 114 19.614 -2.440 -38.342 1.00 0.00 N ATOM 581 CA GLN A 114 18.897 -2.472 -39.612 1.00 0.00 C ATOM 582 C GLN A 114 17.771 -1.441 -39.612 1.00 0.00 C ATOM 583 O GLN A 114 17.120 -1.218 -40.633 1.00 0.00 O ATOM 584 CB GLN A 114 18.314 -3.866 -39.850 1.00 0.00 C ATOM 585 CG GLN A 114 19.450 -4.859 -40.093 1.00 0.00 C ATOM 586 CD GLN A 114 18.896 -6.278 -40.161 1.00 0.00 C ATOM 587 OE1 GLN A 114 17.881 -6.580 -39.534 1.00 0.00 O ATOM 588 NE2 GLN A 114 19.507 -7.172 -40.890 1.00 0.00 N ATOM 0 H GLN A 114 19.340 -3.166 -37.680 1.00 0.00 H new ATOM 0 HA GLN A 114 19.598 -2.233 -40.411 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.723 -4.177 -38.988 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.642 -3.849 -40.708 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.964 -4.616 -41.023 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.186 -4.785 -39.293 1.00 0.00 H new ATOM 0 HE21 GLN A 114 20.348 -6.919 -41.409 1.00 0.00 H new ATOM 0 HE22 GLN A 114 19.143 -8.124 -40.941 1.00 0.00 H new ATOM 597 N GLY A 115 17.551 -0.813 -38.461 1.00 0.00 N ATOM 598 CA GLY A 115 16.506 0.198 -38.342 1.00 0.00 C ATOM 599 C GLY A 115 15.219 -0.409 -37.795 1.00 0.00 C ATOM 600 O GLY A 115 14.146 0.186 -37.905 1.00 0.00 O ATOM 0 H GLY A 115 18.077 -0.984 -37.604 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.843 0.999 -37.684 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.315 0.646 -39.317 1.00 0.00 H new ATOM 604 N LEU A 116 15.332 -1.594 -37.208 1.00 0.00 N ATOM 605 CA LEU A 116 14.170 -2.273 -36.648 1.00 0.00 C ATOM 606 C LEU A 116 13.888 -1.782 -35.233 1.00 0.00 C ATOM 607 O LEU A 116 14.808 -1.426 -34.496 1.00 0.00 O ATOM 608 CB LEU A 116 14.406 -3.785 -36.627 1.00 0.00 C ATOM 609 CG LEU A 116 13.633 -4.441 -37.773 1.00 0.00 C ATOM 610 CD1 LEU A 116 12.130 -4.297 -37.524 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.000 -3.755 -39.092 1.00 0.00 C ATOM 0 H LEU A 116 16.211 -2.102 -37.108 1.00 0.00 H new ATOM 0 HA LEU A 116 13.308 -2.048 -37.276 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.470 -3.998 -36.724 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.083 -4.200 -35.672 1.00 0.00 H new ATOM 0 HG LEU A 116 13.892 -5.498 -37.828 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.580 -4.764 -38.340 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.869 -4.784 -36.585 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.870 -3.240 -37.469 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.450 -4.221 -39.910 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.741 -2.698 -39.037 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.071 -3.857 -39.270 1.00 0.00 H new ATOM 623 N LYS A 117 12.612 -1.762 -34.860 1.00 0.00 N ATOM 624 CA LYS A 117 12.221 -1.312 -33.530 1.00 0.00 C ATOM 625 C LYS A 117 11.484 -2.421 -32.784 1.00 0.00 C ATOM 626 O LYS A 117 10.847 -3.278 -33.398 1.00 0.00 O ATOM 627 CB LYS A 117 11.319 -0.083 -33.635 1.00 0.00 C ATOM 628 CG LYS A 117 12.094 1.064 -34.288 1.00 0.00 C ATOM 629 CD LYS A 117 11.193 2.296 -34.390 1.00 0.00 C ATOM 630 CE LYS A 117 11.951 3.428 -35.085 1.00 0.00 C ATOM 631 NZ LYS A 117 13.123 3.825 -34.253 1.00 0.00 N ATOM 0 H LYS A 117 11.836 -2.050 -35.456 1.00 0.00 H new ATOM 0 HA LYS A 117 13.124 -1.053 -32.977 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.432 -0.319 -34.224 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.974 0.214 -32.645 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.982 1.298 -33.701 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.436 0.768 -35.280 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.289 2.053 -34.949 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.878 2.612 -33.396 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.284 3.105 -36.071 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.292 4.283 -35.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.195 4.862 -34.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.001 3.462 -33.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.992 3.428 -34.665 1.00 0.00 H new ATOM 645 N PHE A 118 11.585 -2.405 -31.459 1.00 0.00 N ATOM 646 CA PHE A 118 10.929 -3.417 -30.640 1.00 0.00 C ATOM 647 C PHE A 118 10.545 -2.842 -29.281 1.00 0.00 C ATOM 648 O PHE A 118 11.184 -1.913 -28.788 1.00 0.00 O ATOM 649 CB PHE A 118 11.860 -4.615 -30.446 1.00 0.00 C ATOM 650 CG PHE A 118 12.295 -5.138 -31.795 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.359 -5.741 -32.646 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.631 -5.021 -32.194 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.762 -6.225 -33.895 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.033 -5.507 -33.444 1.00 0.00 C ATOM 655 CZ PHE A 118 13.097 -6.109 -34.293 1.00 0.00 C ATOM 0 H PHE A 118 12.111 -1.707 -30.933 1.00 0.00 H new ATOM 0 HA PHE A 118 10.023 -3.740 -31.152 1.00 0.00 H new ATOM 0 HB2 PHE A 118 12.731 -4.321 -29.860 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.349 -5.399 -29.887 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.328 -5.832 -32.338 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.352 -4.556 -31.538 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.041 -6.689 -34.552 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.064 -5.418 -33.753 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.407 -6.484 -35.257 1.00 0.00 H new ATOM 665 N ARG A 119 9.503 -3.401 -28.679 1.00 0.00 N ATOM 666 CA ARG A 119 9.048 -2.941 -27.370 1.00 0.00 C ATOM 667 C ARG A 119 8.861 -4.121 -26.419 1.00 0.00 C ATOM 668 O ARG A 119 8.367 -3.959 -25.306 1.00 0.00 O ATOM 669 CB ARG A 119 7.729 -2.179 -27.518 1.00 0.00 C ATOM 670 CG ARG A 119 6.578 -3.175 -27.679 1.00 0.00 C ATOM 671 CD ARG A 119 5.645 -3.078 -26.470 1.00 0.00 C ATOM 672 NE ARG A 119 4.634 -4.126 -26.528 1.00 0.00 N ATOM 673 CZ ARG A 119 3.410 -3.932 -26.041 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.100 -2.785 -25.502 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.524 -4.886 -26.107 1.00 0.00 N ATOM 0 H ARG A 119 8.959 -4.169 -29.072 1.00 0.00 H new ATOM 0 HA ARG A 119 9.805 -2.277 -26.953 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.560 -1.550 -26.644 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.774 -1.517 -28.383 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.026 -2.964 -28.595 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.970 -4.188 -27.769 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.221 -3.169 -25.549 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.164 -2.100 -26.450 1.00 0.00 H new ATOM 0 HE ARG A 119 4.868 -5.025 -26.949 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.795 -2.040 -25.454 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.163 -2.634 -25.128 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.769 -5.781 -26.532 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.586 -4.738 -25.734 1.00 0.00 H new ATOM 689 N SER A 120 9.244 -5.308 -26.877 1.00 0.00 N ATOM 690 CA SER A 120 9.102 -6.510 -26.062 1.00 0.00 C ATOM 691 C SER A 120 10.332 -7.400 -26.204 1.00 0.00 C ATOM 692 O SER A 120 11.003 -7.390 -27.235 1.00 0.00 O ATOM 693 CB SER A 120 7.856 -7.285 -26.490 1.00 0.00 C ATOM 694 OG SER A 120 8.035 -7.769 -27.813 1.00 0.00 O ATOM 0 H SER A 120 9.651 -5.464 -27.799 1.00 0.00 H new ATOM 0 HA SER A 120 9.003 -6.211 -25.019 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.679 -8.116 -25.807 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.978 -6.640 -26.442 1.00 0.00 H new ATOM 0 HG SER A 120 7.798 -8.719 -27.849 1.00 0.00 H new ATOM 700 N LYS A 121 10.620 -8.170 -25.159 1.00 0.00 N ATOM 701 CA LYS A 121 11.773 -9.061 -25.178 1.00 0.00 C ATOM 702 C LYS A 121 11.556 -10.201 -26.165 1.00 0.00 C ATOM 703 O LYS A 121 12.508 -10.716 -26.751 1.00 0.00 O ATOM 704 CB LYS A 121 12.013 -9.633 -23.778 1.00 0.00 C ATOM 705 CG LYS A 121 10.704 -10.208 -23.230 1.00 0.00 C ATOM 706 CD LYS A 121 10.941 -11.635 -22.733 1.00 0.00 C ATOM 707 CE LYS A 121 12.004 -11.624 -21.633 1.00 0.00 C ATOM 708 NZ LYS A 121 11.579 -12.524 -20.524 1.00 0.00 N ATOM 0 H LYS A 121 10.076 -8.195 -24.296 1.00 0.00 H new ATOM 0 HA LYS A 121 12.645 -8.488 -25.492 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.776 -10.411 -23.817 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.386 -8.853 -23.114 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.334 -9.585 -22.416 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.940 -10.205 -24.007 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.012 -12.057 -22.351 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.263 -12.270 -23.558 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.962 -11.952 -22.035 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.146 -10.610 -21.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.301 -12.517 -19.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.674 -12.192 -20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.465 -13.492 -20.887 1.00 0.00 H new ATOM 722 N SER A 122 10.297 -10.593 -26.342 1.00 0.00 N ATOM 723 CA SER A 122 9.971 -11.682 -27.258 1.00 0.00 C ATOM 724 C SER A 122 10.293 -11.292 -28.694 1.00 0.00 C ATOM 725 O SER A 122 11.065 -11.971 -29.373 1.00 0.00 O ATOM 726 CB SER A 122 8.484 -12.025 -27.144 1.00 0.00 C ATOM 727 OG SER A 122 7.711 -10.876 -27.470 1.00 0.00 O ATOM 0 H SER A 122 9.494 -10.178 -25.869 1.00 0.00 H new ATOM 0 HA SER A 122 10.571 -12.551 -26.988 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.236 -12.847 -27.815 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.252 -12.359 -26.133 1.00 0.00 H new ATOM 0 HG SER A 122 6.758 -11.092 -27.400 1.00 0.00 H new ATOM 733 N SER A 123 9.713 -10.185 -29.147 1.00 0.00 N ATOM 734 CA SER A 123 9.951 -9.715 -30.508 1.00 0.00 C ATOM 735 C SER A 123 11.449 -9.645 -30.790 1.00 0.00 C ATOM 736 O SER A 123 11.904 -10.037 -31.866 1.00 0.00 O ATOM 737 CB SER A 123 9.337 -8.324 -30.691 1.00 0.00 C ATOM 738 OG SER A 123 7.921 -8.424 -30.606 1.00 0.00 O ATOM 0 H SER A 123 9.081 -9.602 -28.599 1.00 0.00 H new ATOM 0 HA SER A 123 9.488 -10.415 -31.204 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.712 -7.644 -29.926 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.627 -7.909 -31.656 1.00 0.00 H new ATOM 0 HG SER A 123 7.633 -8.222 -29.691 1.00 0.00 H new ATOM 744 N LEU A 124 12.211 -9.155 -29.818 1.00 0.00 N ATOM 745 CA LEU A 124 13.657 -9.053 -29.974 1.00 0.00 C ATOM 746 C LEU A 124 14.268 -10.439 -30.182 1.00 0.00 C ATOM 747 O LEU A 124 15.103 -10.630 -31.063 1.00 0.00 O ATOM 748 CB LEU A 124 14.271 -8.405 -28.732 1.00 0.00 C ATOM 749 CG LEU A 124 15.788 -8.299 -28.906 1.00 0.00 C ATOM 750 CD1 LEU A 124 16.104 -7.411 -30.110 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.403 -7.685 -27.647 1.00 0.00 C ATOM 0 H LEU A 124 11.855 -8.825 -28.921 1.00 0.00 H new ATOM 0 HA LEU A 124 13.870 -8.436 -30.847 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.842 -7.415 -28.576 1.00 0.00 H new ATOM 0 HB3 LEU A 124 14.037 -8.997 -27.847 1.00 0.00 H new ATOM 0 HG LEU A 124 16.204 -9.293 -29.069 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.184 -7.336 -30.233 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.666 -7.846 -31.008 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.687 -6.417 -29.948 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.483 -7.609 -27.770 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.985 -6.691 -27.486 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.179 -8.317 -26.787 1.00 0.00 H new ATOM 763 N ALA A 125 13.847 -11.395 -29.366 1.00 0.00 N ATOM 764 CA ALA A 125 14.358 -12.756 -29.469 1.00 0.00 C ATOM 765 C ALA A 125 14.057 -13.333 -30.849 1.00 0.00 C ATOM 766 O ALA A 125 14.821 -14.144 -31.374 1.00 0.00 O ATOM 767 CB ALA A 125 13.724 -13.639 -28.392 1.00 0.00 C ATOM 0 H ALA A 125 13.156 -11.255 -28.628 1.00 0.00 H new ATOM 0 HA ALA A 125 15.438 -12.732 -29.323 1.00 0.00 H new ATOM 0 HB1 ALA A 125 14.113 -14.654 -28.478 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.965 -13.240 -27.406 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.642 -13.653 -28.523 1.00 0.00 H new ATOM 773 N ASN A 126 12.934 -12.919 -31.425 1.00 0.00 N ATOM 774 CA ASN A 126 12.538 -13.402 -32.744 1.00 0.00 C ATOM 775 C ASN A 126 13.321 -12.685 -33.839 1.00 0.00 C ATOM 776 O ASN A 126 13.777 -13.303 -34.798 1.00 0.00 O ATOM 777 CB ASN A 126 11.042 -13.182 -32.955 1.00 0.00 C ATOM 778 CG ASN A 126 10.245 -14.129 -32.064 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.779 -15.130 -31.585 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.989 -13.873 -31.812 1.00 0.00 N ATOM 0 H ASN A 126 12.285 -12.255 -31.003 1.00 0.00 H new ATOM 0 HA ASN A 126 12.758 -14.468 -32.798 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.782 -12.149 -32.726 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.785 -13.351 -34.001 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.449 -14.503 -31.218 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.548 -13.044 -32.209 1.00 0.00 H new ATOM 787 N TYR A 127 13.476 -11.372 -33.685 1.00 0.00 N ATOM 788 CA TYR A 127 14.217 -10.578 -34.657 1.00 0.00 C ATOM 789 C TYR A 127 15.652 -11.073 -34.766 1.00 0.00 C ATOM 790 O TYR A 127 16.181 -11.245 -35.865 1.00 0.00 O ATOM 791 CB TYR A 127 14.205 -9.106 -34.248 1.00 0.00 C ATOM 792 CG TYR A 127 15.291 -8.369 -34.993 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.143 -8.086 -36.355 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.453 -7.969 -34.318 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.153 -7.403 -37.042 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.463 -7.287 -35.005 1.00 0.00 C ATOM 797 CZ TYR A 127 17.313 -7.004 -36.368 1.00 0.00 C ATOM 798 OH TYR A 127 18.309 -6.331 -37.046 1.00 0.00 O ATOM 0 H TYR A 127 13.100 -10.839 -32.900 1.00 0.00 H new ATOM 0 HA TYR A 127 13.736 -10.683 -35.630 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.233 -8.664 -34.469 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.360 -9.015 -33.173 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.249 -8.395 -36.876 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.568 -8.188 -33.267 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.037 -7.184 -38.093 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.358 -6.979 -34.484 1.00 0.00 H new ATOM 0 HH TYR A 127 17.985 -6.076 -37.935 1.00 0.00 H new ATOM 808 N LEU A 128 16.286 -11.292 -33.614 1.00 0.00 N ATOM 809 CA LEU A 128 17.672 -11.753 -33.598 1.00 0.00 C ATOM 810 C LEU A 128 17.799 -13.089 -34.325 1.00 0.00 C ATOM 811 O LEU A 128 18.629 -13.237 -35.221 1.00 0.00 O ATOM 812 CB LEU A 128 18.139 -11.919 -32.148 1.00 0.00 C ATOM 813 CG LEU A 128 18.195 -10.550 -31.470 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.522 -10.727 -29.987 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.276 -9.694 -32.131 1.00 0.00 C ATOM 0 H LEU A 128 15.869 -11.160 -32.693 1.00 0.00 H new ATOM 0 HA LEU A 128 18.292 -11.014 -34.106 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.457 -12.576 -31.608 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.122 -12.389 -32.123 1.00 0.00 H new ATOM 0 HG LEU A 128 17.229 -10.057 -31.573 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.562 -9.751 -29.504 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.750 -11.334 -29.514 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.487 -11.222 -29.884 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.314 -8.718 -31.646 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.243 -10.187 -32.031 1.00 0.00 H new ATOM 0 HD23 LEU A 128 19.042 -9.565 -33.188 1.00 0.00 H new ATOM 827 N HIS A 129 16.961 -14.047 -33.951 1.00 0.00 N ATOM 828 CA HIS A 129 16.972 -15.355 -34.593 1.00 0.00 C ATOM 829 C HIS A 129 16.630 -15.220 -36.075 1.00 0.00 C ATOM 830 O HIS A 129 17.127 -15.978 -36.909 1.00 0.00 O ATOM 831 CB HIS A 129 15.963 -16.283 -33.915 1.00 0.00 C ATOM 832 CG HIS A 129 16.050 -17.653 -34.530 1.00 0.00 C ATOM 833 ND1 HIS A 129 17.156 -18.470 -34.363 1.00 0.00 N ATOM 834 CD2 HIS A 129 15.172 -18.364 -35.312 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.920 -19.614 -35.031 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.726 -19.603 -35.626 1.00 0.00 N ATOM 0 H HIS A 129 16.268 -13.944 -33.210 1.00 0.00 H new ATOM 0 HA HIS A 129 17.971 -15.780 -34.496 1.00 0.00 H new ATOM 0 HB2 HIS A 129 16.166 -16.339 -32.846 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.954 -15.885 -34.028 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.202 -18.016 -35.634 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.613 -20.441 -35.080 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.308 -20.343 -36.190 1.00 0.00 H new ATOM 845 N LYS A 130 15.769 -14.259 -36.392 1.00 0.00 N ATOM 846 CA LYS A 130 15.355 -14.049 -37.773 1.00 0.00 C ATOM 847 C LYS A 130 16.537 -13.628 -38.636 1.00 0.00 C ATOM 848 O LYS A 130 16.728 -14.139 -39.740 1.00 0.00 O ATOM 849 CB LYS A 130 14.271 -12.967 -37.833 1.00 0.00 C ATOM 850 CG LYS A 130 13.773 -12.817 -39.271 1.00 0.00 C ATOM 851 CD LYS A 130 12.672 -11.755 -39.325 1.00 0.00 C ATOM 852 CE LYS A 130 12.149 -11.637 -40.758 1.00 0.00 C ATOM 853 NZ LYS A 130 13.259 -11.224 -41.661 1.00 0.00 N ATOM 0 H LYS A 130 15.348 -13.619 -35.718 1.00 0.00 H new ATOM 0 HA LYS A 130 14.959 -14.989 -38.157 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.442 -13.232 -37.176 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.670 -12.018 -37.475 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.598 -12.534 -39.925 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.391 -13.770 -39.635 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.859 -12.024 -38.651 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.061 -10.794 -38.988 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.736 -12.591 -41.085 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.340 -10.908 -40.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 12.864 -10.821 -42.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.846 -10.510 -41.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.843 -12.052 -41.895 1.00 0.00 H new ATOM 867 N ASN A 131 17.330 -12.693 -38.127 1.00 0.00 N ATOM 868 CA ASN A 131 18.484 -12.196 -38.871 1.00 0.00 C ATOM 869 C ASN A 131 19.608 -13.221 -38.875 1.00 0.00 C ATOM 870 O ASN A 131 20.592 -13.077 -39.600 1.00 0.00 O ATOM 871 CB ASN A 131 18.983 -10.888 -38.247 1.00 0.00 C ATOM 872 CG ASN A 131 19.873 -10.143 -39.237 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.820 -10.404 -40.439 1.00 0.00 O ATOM 874 ND2 ASN A 131 20.688 -9.223 -38.802 1.00 0.00 N ATOM 0 H ASN A 131 17.198 -12.266 -37.210 1.00 0.00 H new ATOM 0 HA ASN A 131 18.175 -12.015 -39.901 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.135 -10.263 -37.966 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.539 -11.100 -37.334 1.00 0.00 H new ATOM 0 HD21 ASN A 131 21.284 -8.718 -39.458 1.00 0.00 H new ATOM 0 HD22 ASN A 131 20.730 -9.009 -37.806 1.00 0.00 H new ATOM 881 N GLY A 132 19.454 -14.259 -38.062 1.00 0.00 N ATOM 882 CA GLY A 132 20.463 -15.311 -37.979 1.00 0.00 C ATOM 883 C GLY A 132 21.446 -15.033 -36.847 1.00 0.00 C ATOM 884 O GLY A 132 22.165 -15.929 -36.404 1.00 0.00 O ATOM 0 H GLY A 132 18.646 -14.396 -37.454 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.978 -16.274 -37.817 1.00 0.00 H new ATOM 0 HA3 GLY A 132 21.001 -15.380 -38.925 1.00 0.00 H new ATOM 888 N GLU A 133 21.464 -13.789 -36.377 1.00 0.00 N ATOM 889 CA GLU A 133 22.360 -13.408 -35.286 1.00 0.00 C ATOM 890 C GLU A 133 21.682 -13.640 -33.940 1.00 0.00 C ATOM 891 O GLU A 133 20.652 -13.040 -33.646 1.00 0.00 O ATOM 892 CB GLU A 133 22.749 -11.937 -35.422 1.00 0.00 C ATOM 893 CG GLU A 133 23.559 -11.740 -36.704 1.00 0.00 C ATOM 894 CD GLU A 133 23.910 -10.266 -36.878 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.628 -9.500 -35.971 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.449 -9.923 -37.916 1.00 0.00 O ATOM 0 H GLU A 133 20.876 -13.034 -36.729 1.00 0.00 H new ATOM 0 HA GLU A 133 23.258 -14.024 -35.339 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.855 -11.314 -35.445 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.334 -11.623 -34.558 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.470 -12.337 -36.664 1.00 0.00 H new ATOM 0 HG3 GLU A 133 22.987 -12.090 -37.563 1.00 0.00 H new ATOM 903 N THR A 134 22.269 -14.511 -33.129 1.00 0.00 N ATOM 904 CA THR A 134 21.709 -14.827 -31.821 1.00 0.00 C ATOM 905 C THR A 134 22.686 -14.464 -30.711 1.00 0.00 C ATOM 906 O THR A 134 22.578 -14.961 -29.590 1.00 0.00 O ATOM 907 CB THR A 134 21.371 -16.319 -31.745 1.00 0.00 C ATOM 908 OG1 THR A 134 22.548 -17.080 -31.975 1.00 0.00 O ATOM 909 CG2 THR A 134 20.323 -16.664 -32.803 1.00 0.00 C ATOM 0 H THR A 134 23.130 -15.010 -33.353 1.00 0.00 H new ATOM 0 HA THR A 134 20.800 -14.241 -31.687 1.00 0.00 H new ATOM 0 HB THR A 134 20.973 -16.551 -30.757 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.335 -18.035 -31.925 1.00 0.00 H new ATOM 0 HG21 THR A 134 20.085 -17.726 -32.746 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.420 -16.080 -32.625 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.716 -16.433 -33.793 1.00 0.00 H new ATOM 917 N SER A 135 23.644 -13.598 -31.033 1.00 0.00 N ATOM 918 CA SER A 135 24.640 -13.180 -30.049 1.00 0.00 C ATOM 919 C SER A 135 23.959 -12.527 -28.849 1.00 0.00 C ATOM 920 O SER A 135 24.219 -12.897 -27.704 1.00 0.00 O ATOM 921 CB SER A 135 25.610 -12.186 -30.688 1.00 0.00 C ATOM 922 OG SER A 135 26.365 -12.847 -31.694 1.00 0.00 O ATOM 0 H SER A 135 23.752 -13.176 -31.955 1.00 0.00 H new ATOM 0 HA SER A 135 25.188 -14.059 -29.710 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.060 -11.350 -31.120 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.276 -11.772 -29.931 1.00 0.00 H new ATOM 0 HG SER A 135 26.987 -12.212 -32.107 1.00 0.00 H new ATOM 928 N LEU A 136 23.079 -11.566 -29.118 1.00 0.00 N ATOM 929 CA LEU A 136 22.357 -10.886 -28.051 1.00 0.00 C ATOM 930 C LEU A 136 21.308 -11.814 -27.448 1.00 0.00 C ATOM 931 O LEU A 136 20.821 -12.731 -28.113 1.00 0.00 O ATOM 932 CB LEU A 136 21.678 -9.629 -28.596 1.00 0.00 C ATOM 933 CG LEU A 136 22.210 -8.401 -27.858 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.673 -8.169 -28.236 1.00 0.00 C ATOM 935 CD2 LEU A 136 21.383 -7.175 -28.250 1.00 0.00 C ATOM 0 H LEU A 136 22.851 -11.244 -30.059 1.00 0.00 H new ATOM 0 HA LEU A 136 23.069 -10.603 -27.276 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.868 -9.535 -29.665 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.598 -9.703 -28.470 1.00 0.00 H new ATOM 0 HG LEU A 136 22.136 -8.564 -26.783 1.00 0.00 H new ATOM 0 HD11 LEU A 136 24.050 -7.293 -27.709 1.00 0.00 H new ATOM 0 HD12 LEU A 136 24.263 -9.042 -27.958 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.750 -8.006 -29.311 1.00 0.00 H new ATOM 0 HD21 LEU A 136 21.761 -6.298 -27.725 1.00 0.00 H new ATOM 0 HD22 LEU A 136 21.458 -7.014 -29.325 1.00 0.00 H new ATOM 0 HD23 LEU A 136 20.340 -7.338 -27.980 1.00 0.00 H new ATOM 947 N LYS A 137 20.961 -11.571 -26.188 1.00 0.00 N ATOM 948 CA LYS A 137 19.973 -12.394 -25.505 1.00 0.00 C ATOM 949 C LYS A 137 18.761 -11.561 -25.105 1.00 0.00 C ATOM 950 O LYS A 137 18.876 -10.361 -24.857 1.00 0.00 O ATOM 951 CB LYS A 137 20.596 -13.029 -24.258 1.00 0.00 C ATOM 952 CG LYS A 137 21.252 -11.941 -23.405 1.00 0.00 C ATOM 953 CD LYS A 137 21.935 -12.581 -22.196 1.00 0.00 C ATOM 954 CE LYS A 137 23.447 -12.625 -22.426 1.00 0.00 C ATOM 955 NZ LYS A 137 23.739 -13.415 -23.654 1.00 0.00 N ATOM 0 H LYS A 137 21.348 -10.815 -25.623 1.00 0.00 H new ATOM 0 HA LYS A 137 19.647 -13.178 -26.188 1.00 0.00 H new ATOM 0 HB2 LYS A 137 19.831 -13.547 -23.680 1.00 0.00 H new ATOM 0 HB3 LYS A 137 21.336 -13.775 -24.548 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.982 -11.390 -23.998 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.502 -11.222 -23.074 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.710 -12.011 -21.294 1.00 0.00 H new ATOM 0 HD3 LYS A 137 21.551 -13.589 -22.040 1.00 0.00 H new ATOM 0 HE2 LYS A 137 23.840 -11.613 -22.529 1.00 0.00 H new ATOM 0 HE3 LYS A 137 23.944 -13.073 -21.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 24.745 -13.677 -23.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 23.157 -14.277 -23.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 23.519 -12.844 -24.495 1.00 0.00 H new ATOM 969 N PRO A 138 17.616 -12.179 -25.030 1.00 0.00 N ATOM 970 CA PRO A 138 16.352 -11.491 -24.637 1.00 0.00 C ATOM 971 C PRO A 138 16.503 -10.728 -23.323 1.00 0.00 C ATOM 972 O PRO A 138 15.684 -9.870 -22.996 1.00 0.00 O ATOM 973 CB PRO A 138 15.347 -12.636 -24.488 1.00 0.00 C ATOM 974 CG PRO A 138 15.886 -13.753 -25.319 1.00 0.00 C ATOM 975 CD PRO A 138 17.395 -13.602 -25.327 1.00 0.00 C ATOM 0 HA PRO A 138 16.047 -10.743 -25.369 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.247 -12.936 -23.445 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.357 -12.335 -24.830 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.596 -14.718 -24.904 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.487 -13.709 -26.332 1.00 0.00 H new ATOM 0 HD2 PRO A 138 17.863 -14.242 -24.580 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.818 -13.878 -26.293 1.00 0.00 H new ATOM 983 N GLU A 139 17.547 -11.052 -22.570 1.00 0.00 N ATOM 984 CA GLU A 139 17.792 -10.394 -21.291 1.00 0.00 C ATOM 985 C GLU A 139 18.833 -9.289 -21.444 1.00 0.00 C ATOM 986 O GLU A 139 19.253 -8.680 -20.460 1.00 0.00 O ATOM 987 CB GLU A 139 18.278 -11.419 -20.264 1.00 0.00 C ATOM 988 CG GLU A 139 17.149 -12.404 -19.953 1.00 0.00 C ATOM 989 CD GLU A 139 17.663 -13.513 -19.041 1.00 0.00 C ATOM 990 OE1 GLU A 139 18.860 -13.555 -18.808 1.00 0.00 O ATOM 991 OE2 GLU A 139 16.853 -14.307 -18.592 1.00 0.00 O ATOM 0 H GLU A 139 18.235 -11.762 -22.820 1.00 0.00 H new ATOM 0 HA GLU A 139 16.858 -9.949 -20.948 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.145 -11.954 -20.651 1.00 0.00 H new ATOM 0 HB3 GLU A 139 18.596 -10.914 -19.352 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.321 -11.882 -19.474 1.00 0.00 H new ATOM 0 HG3 GLU A 139 16.763 -12.832 -20.878 1.00 0.00 H new ATOM 998 N ASP A 140 19.250 -9.043 -22.683 1.00 0.00 N ATOM 999 CA ASP A 140 20.248 -8.014 -22.948 1.00 0.00 C ATOM 1000 C ASP A 140 19.633 -6.623 -22.849 1.00 0.00 C ATOM 1001 O ASP A 140 20.290 -5.670 -22.431 1.00 0.00 O ATOM 1002 CB ASP A 140 20.840 -8.213 -24.345 1.00 0.00 C ATOM 1003 CG ASP A 140 22.057 -7.313 -24.530 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.023 -7.504 -23.810 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.004 -6.449 -25.388 1.00 0.00 O ATOM 0 H ASP A 140 18.916 -9.537 -23.511 1.00 0.00 H new ATOM 0 HA ASP A 140 21.036 -8.100 -22.200 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.125 -9.256 -24.483 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.090 -7.985 -25.102 1.00 0.00 H new ATOM 1010 N PHE A 141 18.366 -6.515 -23.232 1.00 0.00 N ATOM 1011 CA PHE A 141 17.667 -5.232 -23.181 1.00 0.00 C ATOM 1012 C PHE A 141 17.490 -4.782 -21.734 1.00 0.00 C ATOM 1013 O PHE A 141 16.846 -5.459 -20.933 1.00 0.00 O ATOM 1014 CB PHE A 141 16.297 -5.357 -23.849 1.00 0.00 C ATOM 1015 CG PHE A 141 15.311 -5.967 -22.881 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.561 -7.231 -22.330 1.00 0.00 C ATOM 1017 CD2 PHE A 141 14.155 -5.265 -22.525 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.652 -7.792 -21.428 1.00 0.00 C ATOM 1019 CE2 PHE A 141 13.244 -5.827 -21.623 1.00 0.00 C ATOM 1020 CZ PHE A 141 13.492 -7.091 -21.076 1.00 0.00 C ATOM 0 H PHE A 141 17.804 -7.292 -23.579 1.00 0.00 H new ATOM 0 HA PHE A 141 18.263 -4.490 -23.713 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.947 -4.376 -24.169 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.373 -5.975 -24.743 1.00 0.00 H new ATOM 0 HD1 PHE A 141 16.456 -7.772 -22.602 1.00 0.00 H new ATOM 0 HD2 PHE A 141 13.965 -4.289 -22.946 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.844 -8.766 -21.003 1.00 0.00 H new ATOM 0 HE2 PHE A 141 12.350 -5.286 -21.349 1.00 0.00 H new ATOM 0 HZ PHE A 141 12.788 -7.526 -20.382 1.00 0.00 H new ATOM 1030 N ASP A 142 18.073 -3.637 -21.401 1.00 0.00 N ATOM 1031 CA ASP A 142 17.981 -3.103 -20.049 1.00 0.00 C ATOM 1032 C ASP A 142 17.363 -1.711 -20.055 1.00 0.00 C ATOM 1033 O ASP A 142 17.869 -0.804 -20.716 1.00 0.00 O ATOM 1034 CB ASP A 142 19.372 -3.048 -19.413 1.00 0.00 C ATOM 1035 CG ASP A 142 19.272 -2.522 -17.984 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.191 -2.107 -17.601 1.00 0.00 O ATOM 1037 OD2 ASP A 142 20.280 -2.541 -17.297 1.00 0.00 O ATOM 0 H ASP A 142 18.613 -3.062 -22.047 1.00 0.00 H new ATOM 0 HA ASP A 142 17.340 -3.763 -19.464 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.820 -4.041 -19.413 1.00 0.00 H new ATOM 0 HB3 ASP A 142 20.025 -2.404 -20.002 1.00 0.00 H new ATOM 1042 N PHE A 143 16.271 -1.547 -19.317 1.00 0.00 N ATOM 1043 CA PHE A 143 15.600 -0.253 -19.243 1.00 0.00 C ATOM 1044 C PHE A 143 16.463 0.754 -18.487 1.00 0.00 C ATOM 1045 O PHE A 143 16.120 1.177 -17.384 1.00 0.00 O ATOM 1046 CB PHE A 143 14.254 -0.405 -18.531 1.00 0.00 C ATOM 1047 CG PHE A 143 13.330 -1.247 -19.378 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.888 -0.769 -20.617 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.917 -2.507 -18.926 1.00 0.00 C ATOM 1050 CE1 PHE A 143 12.031 -1.550 -21.404 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.060 -3.286 -19.711 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.617 -2.809 -20.951 1.00 0.00 C ATOM 0 H PHE A 143 15.834 -2.286 -18.766 1.00 0.00 H new ATOM 0 HA PHE A 143 15.438 0.111 -20.258 1.00 0.00 H new ATOM 0 HB2 PHE A 143 14.397 -0.871 -17.556 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.811 0.575 -18.354 1.00 0.00 H new ATOM 0 HD1 PHE A 143 13.207 0.202 -20.967 1.00 0.00 H new ATOM 0 HD2 PHE A 143 13.260 -2.877 -17.971 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.690 -1.181 -22.360 1.00 0.00 H new ATOM 0 HE2 PHE A 143 11.740 -4.256 -19.360 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.957 -3.411 -21.557 1.00 0.00 H new